N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride

C32H43Cl3N4O3 — CID 24831935

About N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride

N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride (PubChem CID 24831935) has the molecular formula C32H43Cl3N4O3 and a molecular weight of 638.08 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride
• PubChem CID: 24831935
• Molecular Formula: C32H43Cl3N4O3
• Molecular Weight: 638.08 g/mol
• Exact Mass: 636.24
• IUPAC Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride
• SMILES: Cl.O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccccc2OCCCN2CCCC2)CC1)N1CCCC1
• InChI: InChI=1S/C32H42Cl2N4O3.ClH/c33-26-11-10-25(28(34)23-26)22-29(35-32(40)38-17-5-6-18-38)31(39)37-19-12-24(13-20-37)27-8-1-2-9-30(27)41-21-7-16-36-14-3-4-15-36;/h1-2,8-11,23-24,29H,3-7,12-22H2,(H,35,40);1H/t29-;/m1./s1
• InChIKey: QYJOEBKAPUIICS-XXIQNXCHSA-N
• XLogP: 6.40
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.08
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride?

The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride (CID 24831935) is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride.

What is the SMILES notation for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride?

The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride is Cl.O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccccc2OCCCN2CCCC2)CC1)N1CCCC1.

What is the InChIKey of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride?

The InChIKey is QYJOEBKAPUIICS-XXIQNXCHSA-N. The full InChI is InChI=1S/C32H42Cl2N4O3.ClH/c33-26-11-10-25(28(34)23-26)22-29(35-32(40)38-17-5-6-18-38)31(39)37-19-12-24(13-20-37)27-8-1-2-9-30(27)41-21-7-16-36-14-3-4-15-36;/h1-2,8-11,23-24,29H,3-7,12-22H2,(H,35,40);1H/t29-;/m1./s1.

What are the key properties of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride?

N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 638.08 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 24831935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).